Geometry & MOs

Info

ID:	309313
PubChem CID:	126544415
Reduced:	O3F4N4H18C22 (1)
Stoich.:	A3B4C4D18E22 (1)
Weight, g/mol:	486.187875
ΔH_f, kcal/mol:	-195.15
Dipole, Da:	2.18
IP(EA), eV:	-9.89(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenyl-1-propanoylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CC(C1)C(=O)N(CC2=C(C=C(C=C2)C3=NN=C(O3)C(F)F)F)C4=CC(=CC=C4)F

DOS

IR

Vibrations